4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide

C16H19N3O4S — CID 24515082

IUPAC4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCOCCNc1ccc(C(=O)NC(C)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O4S/c1-11(15-4-3-9-24-15)18-16(20)12-5-6-13(17-7-8-23-2)14(10-12)19(21)22/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,20)
InChIKeyAEGVWYUDCPGKCF-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.21
Rot. Bonds8

About 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide

4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide (PubChem CID 24515082) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
PubChem CID24515082
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
SMILESCOCCNc1ccc(C(=O)NC(C)c2cccs2)cc1[N+](=O)[O-]
InChIInChI=1S/C16H19N3O4S/c1-11(15-4-3-9-24-15)18-16(20)12-5-6-13(17-7-8-23-2)14(10-12)19(21)22/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,20)
InChIKeyAEGVWYUDCPGKCF-UHFFFAOYSA-N
XLogP3.21
TPSA93.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-nitro-N-(1-thiophen-2-ylethyl)benzamide
CID 43399300
N-[1-(2,4-dichlorophenyl)ethyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 24514903
N-ethoxy-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 18169069
4-(2-methoxyethylamino)-3-nitrobenzamide
CID 4883684
4-(2-methoxyethylamino)-3-nitro-N-(3-propan-2-ylphenyl)benzamide
CID 42236853
4-(2-methoxyethylamino)-3-nitro-N-prop-2-ynylbenzamide
CID 18110138
methyl 4-[2-(2-methoxyethoxy)ethylamino]-3-nitrobenzoate
CID 177149291
N-[2-(hydroxymethyl)-4-methylpentyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 119037026
N-[(2R)-2-(hydroxymethyl)-4-methylpentyl]-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 100629080
N-cyclohexyl-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 51254591
N-methyl-3-nitro-4-(2-thiophen-2-ylethylamino)benzamide
CID 78969745
N-(4-iodophenyl)-4-(2-methoxyethylamino)-3-nitrobenzamide
CID 27825616

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The IUPAC name of 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide (CID 24515082) is 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide.
What is the SMILES notation for 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The canonical SMILES for 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide is COCCNc1ccc(C(=O)NC(C)c2cccs2)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
The InChIKey is AEGVWYUDCPGKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-11(15-4-3-9-24-15)18-16(20)12-5-6-13(17-7-8-23-2)14(10-12)19(21)22/h3-6,9-11,17H,7-8H2,1-2H3,(H,18,20).
What are the key properties of 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide?
4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide has a molecular weight of 349.41 g/mol, XLogP of 3.21, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethylamino)-3-nitro-N-(1-thiophen-2-ylethyl)benzamide is sourced from PubChem (CID 24515082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).